(Z)-3-[2-(1,3-benzodioxol-5-ylmethoxy)-5-methyl-phenyl]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (Z)-3-[2-(1,3-benzodioxol-5-ylmethoxy)-5-methyl-phenyl]-2-diazonio-1-ethoxy-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (Z)-3-[2-(1,3-benzodioxol-5-ylmethoxy)-5-methyl-phenyl]-2-diazonio-1-ethoxy-3-oxo-prop-1-en-1-olate CAS Name: (Z)-3-[2-(1,3-benzodioxol-5-ylmethoxy)-5-methylphenyl]-2-diazonio-1-ethoxy-3-oxo-1-propen-1-olate IUPAC Name: (Z)-3-[2-(1,3-benzodioxol-5-ylmethoxy)-5-methylphenyl]-2-diazonio-1-ethoxy-3-oxoprop-1-en-1-olate Traditional Name: (Z)-2-diazonio-1-ethoxy-3-keto-3-(5-methyl-2-piperonyloxy-phenyl)prop-1-en-1-olate Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C1=C(C=CC(=C1)C)OCC2=CC3=C(C=C2)OCO3)[N+]#N)[O-]

Isomeric SMILES

CCO/C(=C(/C(=O)C1=C(C=CC(=C1)C)OCC2=CC3=C(C=C2)OCO3)\[N+]#N)/[O-]

InChI

InChI=1S/C20H18N2O6/c1-3-25-20(24)18(22-21)19(23)14-8-12(2)4-6-15(14)26-10-13-5-7-16-17(9-13)28-11-27-16/h4-9H,3,10-11H2,1-2H3